UCSF

ZINC00099477

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2005 25 Yes

Other Names:

MFCD02612088

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.09 9.08 -49.51 3 4 1 51 337.443 4
Mid Mid (pH 6-8) 4.09 8 -8.2 2 4 0 46 336.435 4

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )